SCHEMBL3019742

SCHEMBL3019742

CC(C)(C)OC(=O)N1CC2OCc3c(OS(=O)(=O)C(F)(F)F)cccc3C2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
DRD3 P35462 9/20 0.46
DRD4 P21917 7/20 0.46
DRD1 P21728 5/20 0.46
DRD5 P21918 5/20 0.46
RORC P51449 1/20 0.44
TACR1 P25103 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR5A P47898 1/20 0.37
PDE4B Q07343 1/20 0.37
LIPE Q05469 1/20 0.36
HTR1D P28221 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3019743 1.00 DRD2 (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3023895 1.00 DRD2 (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3020753 0.88 DRD2 (0.48) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3018279 0.85 PDE4B (0.47) RORCKDM4EPDE4B
SCHEMBL3018278 0.85 PDE4B (0.47) RORCKDM4EPDE4B
SCHEMBL3024378 0.83 RORC (0.43) RORCTACR1KDM4EPDE4B
SCHEMBL3023828 0.83 RORC (0.43) RORCTACR1KDM4EPDE4B
SCHEMBL3023830 0.83 RORC (0.43) RORCTACR1KDM4EPDE4B
SCHEMBL3024958 0.83 RORC (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3024960 0.83 RORC (0.43) DRD2DRD3DRD4DRD1DRD5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 DRD2 30/4885DRD3 54/4885DRD4 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.